2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid

C11H13N5O2S — CID 113423096

IUPAC2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(N2CCn3ccnc3C2)n1
InChIInChI=1S/C11H13N5O2S/c12-9(10(17)18)7-6-19-11(14-7)16-4-3-15-2-1-13-8(15)5-16/h1-2,6,9H,3-5,12H2,(H,17,18)
InChIKeyIYBYIIRAHOQWOB-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 113423096) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID113423096
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(N2CCn3ccnc3C2)n1
InChIInChI=1S/C11H13N5O2S/c12-9(10(17)18)7-6-19-11(14-7)16-4-3-15-2-1-13-8(15)5-16/h1-2,6,9H,3-5,12H2,(H,17,18)
InChIKeyIYBYIIRAHOQWOB-UHFFFAOYSA-N
XLogP0.44
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014
1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544380
ethyl 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetate
CID 80576722
methyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
CID 113307120
ethyl 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]propanoate
CID 103487542
2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527841
2-amino-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527843
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179
2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527460
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)furan-2-carboxylic acid
CID 63024947
2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527993

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid (CID 113423096) is 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(N2CCn3ccnc3C2)n1.
What is the InChIKey of 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is IYBYIIRAHOQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-9(10(17)18)7-6-19-11(14-7)16-4-3-15-2-1-13-8(15)5-16/h1-2,6,9H,3-5,12H2,(H,17,18).
What are the key properties of 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113423096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).